5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide

C16H14ClNO2S2 — CID 2824261

IUPAC5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1
InChIInChI=1S/C16H14ClNO2S2/c1-10-3-6-13(7-4-10)18-22(19,20)16-11(2)14-9-12(17)5-8-15(14)21-16/h3-9,18H,1-2H3
InChIKeyNCWXYBRSDAYPSP-UHFFFAOYSA-N
MW351.88 g/mol
LogP4.97
Rot. Bonds3

About 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide

5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide (PubChem CID 2824261) has the molecular formula C16H14ClNO2S2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
PubChem CID2824261
Molecular FormulaC16H14ClNO2S2
Molecular Weight351.88 g/mol
Exact Mass351.02
IUPAC Name5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1
InChIInChI=1S/C16H14ClNO2S2/c1-10-3-6-13(7-4-10)18-22(19,20)16-11(2)14-9-12(17)5-8-15(14)21-16/h3-9,18H,1-2H3
InChIKeyNCWXYBRSDAYPSP-UHFFFAOYSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
methyl 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]benzoate
CID 56941887
5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943357
N-[2-(benzenesulfonyl)-4-chlorophenyl]-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 118074437
5-chloro-2-(chloromethylsulfonyl)-3-methyl-1-benzothiophene
CID 11266391
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methyl-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 11698821
5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 6918455
5-chloro-N-[1-[2-(dimethylamino)ethyl]indol-6-yl]-3-methyl-1-benzothiophene-2-sulfonamide;hydrochloride
CID 44533239
6-acetyl-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methylbenzenesulfonic acid
CID 141048962
5-chloro-3-methyl-N-[3-(4-methylpiperazin-1-yl)-4-propan-2-yloxyphenyl]-1-benzothiophene-2-sulfonamide
CID 18180056
2-[5-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-1H-indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 11720304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide (CID 2824261) is 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide is Cc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1.
What is the InChIKey of 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide?
The InChIKey is NCWXYBRSDAYPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2S2/c1-10-3-6-13(7-4-10)18-22(19,20)16-11(2)14-9-12(17)5-8-15(14)21-16/h3-9,18H,1-2H3.
What are the key properties of 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide?
5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide has a molecular weight of 351.88 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 2824261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).